howto:cp2k
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howto:cp2k [2016/03/30 11:55] kgovender |
howto:cp2k [2017/01/30 08:58] (current) kgovender |
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| ====CP2K job submission==== | ====CP2K job submission==== | ||
| - | Execute **qcp2k_2.6.2** on login node and follow the prompts. | + | Execute **qcp2k_2.6.2** or **qcp2k_3.0** on login node and follow the prompts. |
| This script handles PBS setup and submission. | This script handles PBS setup and submission. | ||
| Sets up the mpi environment variables allowing you to run over multiple processors and nodes. | Sets up the mpi environment variables allowing you to run over multiple processors and nodes. | ||
/var/www/wiki/data/pages/howto/cp2k.txt · Last modified: 2017/01/30 08:58 by kgovender
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